PM7 Accuracy Date:Mon Feb 11 04:20:05 2019

pt(ii)(h2o)6   7686 Pt(II)(H2O)6

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    #  Species Formula
  7676 Pt(CH2(COO)2)(NH2C2H4NH2)C5H10N2O4Pt
  7677 Pt((COO)2CHEt)(NH3)2C5H12N2O4Pt
  7678 Cis-Pt(1,1-cbda)(NH3)2C6H12N2O4Pt
  7679 Pt(IV)N2O2C2 (BAVHIP) (Geo)C6H14N2O4Pt
  7680 Pt(IV)N2O2C2 (BAVHIP)C6H14N2O4Pt
  7681 Cis-Pt(1,1-cbda)(NH2Me)2 (34)C8H16N2O4Pt
  7682 Cis-Pt(1,2-cbda)(NH2Me)2C8H16N2O4Pt
  7683 Cis-Pt(1,1-cbda)(NH2Et)2C10H20N2O4Pt
  7684 Cis-Pt(1,1-cbda)(NH2-i-Pr)2C12H24N2O4Pt
  7685 Pt((COO)2CH(OH))(NH3)2C3H8N2O5Pt
  7686 Pt(II)(H2O)6 H12O6Pt
  7687 Pt(II)(H2O)6 (Geo)H12O6Pt
  7688 Pt(IV)O4N2 (BIPWIG) (Geo)C3H10N2O6Pt
  7689 Pt(IV)O4N2 (BIPWIG)C3H10N2O6Pt
  7690 Platinum EDTA (Geo)C10H12N2O8Pt
  7691 Platinum EDTAC10H12N2O8Pt
  7692 Methyl platinum(II) fluorideCH3FPt
  7693 Methyl platinum(II) fluoride (Geo)CH3FPt
  7694 Platinum F (Geo)F2Pt
  7695 Platinum(IV) oxide difluorideOF2Pt
  7696 Platinum(IV) oxide difluoride (Geo)OF2Pt


ΔHf: 153.7 kcal/mol,     REF: Estimated from DGauss results of DFT calculations, using the B88-PW91 functional and the DZVP basis set, in CAChe 6.0, Fujitsu Ltd, 2003.
  
 CHARGE=2 UHF SHIFT=80 PM7
Pt(II)(H2O)6
 H=153.7 HR=PW91D
 Pt     0.00000000 +0    0.0000000 +0    0.0000000 +0     0     0     0
  O     2.11318572 +1    0.0000000 +0    0.0000000 +0     1     0     0
  O     2.27170330 +1  110.9196729 +1    0.0000000 +0     1     2     0
  O     2.14400041 +1   80.2512811 +1   67.6852455 +1     1     2     3
  O     2.27380664 +1   69.1414545 +1  112.2724612 +1     1     2     4
  O     2.14383448 +1   99.5440457 +1   67.7689373 +1     1     2     5
  O     2.11234109 +1   80.4937965 +1  179.8386656 +1     1     6     2
  H     0.99249630 +1  115.5334710 +1   57.7452498 +1     2     1     3
  H     1.00460473 +1  112.8038753 +1  118.2000114 +1     2     1     8
  H     1.00430792 +1  112.9158262 +1  -63.5725509 +1     7     1     4
  H     0.99242697 +1  115.5140919 +1  118.3196103 +1     7     1    10
  H     0.99442927 +1  112.6590454 +1   -4.0015712 +1     4     1     2
  H     0.98975069 +1  116.7690323 +1  118.8003654 +1     4     1    12
  H     0.99442671 +1  112.6620338 +1 -174.0910303 +1     6     1     2
  H     0.98967228 +1  116.6301458 +1 -118.7640583 +1     6     1    14
  H     0.98482403 +1  116.2267447 +1   62.6953630 +1     3     1     2
  H     0.98182102 +1  121.8012851 +1 -128.6891101 +1     3     1    16
  H     0.98422554 +1  116.8842792 +1  116.1272962 +1     5     1     2
  H     0.98142550 +1  122.0959078 +1  129.9333566 +1     5     1    18